| SpectraBase Compound ID | EU9345ypwTA |
|---|---|
| InChI | InChI=1S/C12H22ClNO4/c1-10(2)4-3-8-17-11(15)5-7-14-12(16)18-9-6-13/h10H,3-9H2,1-2H3,(H,14,16) |
| InChIKey | SPAVKQWNJIKYAN-UHFFFAOYSA-N |
| Mol Weight | 279.76 g/mol |
| Molecular Formula | C12H22ClNO4 |
| Exact Mass | 279.123736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ZTIxeFT1C2 |
|---|---|
| Name | .beta.-Alanine, N-(2-chloroethoxycarbonyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.123735888 u |
| Formula | C12H22ClNO4 |
| InChI | InChI=1S/C12H22ClNO4/c1-10(2)4-3-8-17-11(15)5-7-14-12(16)18-9-6-13/h10H,3-9H2,1-2H3,(H,14,16) |
| InChIKey | SPAVKQWNJIKYAN-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(CCNC(OCCCl)=O)=O |